7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]sulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(E)-3-ethoxy-3-oxoprop-1-enyl]thio]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[[(E)-3-ethoxy-3-keto-prop-1-enyl]thio]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N5O7S3 MolecularWeight: 513.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CSC1=C(N2C(CS1)C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C/SC1=C(N2C(CS1)C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O

InChI

InChI=1S/C18H19N5O7S3/c1-3-30-10(24)4-5-31-17-13(16(27)28)23-9(7-32-17)12(15(23)26)21-14(25)11(22-29-2)8-6-33-18(19)20-8/h4-6,9,12H,3,7H2,1-2H3,(H2,19,20)(H,21,25)(H,27,28)/b5-4+,22-11+