7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 3-methylsulfanylquinolin-1-ium

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 3-methylsulfanylquinolin-1-ium Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 3-methylsulfanylquinolin-1-ium CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 3-(methylthio)quinolin-1-ium IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 3-methylsulfanylquinolin-1-ium Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 3-(methylthio)quinolin-1-ium Formula: C24H24N6O5S3 MolecularWeight: 572.67956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])NC(=O)C(=NOC)C3=CSC(=N3)N.CSC1=CC2=CC=CC=C2[NH+]=C1

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])NC(=O)/C(=N/OC)/C3=CSC(=N3)N.CSC1=CC2=CC=CC=C2[NH+]=C1

InChI

InChI=1S/C14H15N5O5S2.C10H9NS/c1-14(11(23)19-7(10(21)22)3-4-25-12(14)19)17-9(20)8(18-24-2)6-5-26-13(15)16-6;1-12-9-6-8-4-2-3-5-10(8)11-7-9/h3,5,12H,4H2,1-2H3,(H2,15,16)(H,17,20)(H,21,22);2-7H,1H3/b18-8+;