sodium 2-[acetyloxy(thiophen-2-yl)methyl]-3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 2-[acetyloxy(thiophen-2-yl)methyl]-3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 2-[acetoxy(2-thienyl)methyl]-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-4-oxo-azetidine-1-sulfonate CAS Name: sodium 2-[acetyloxy(thiophen-2-yl)methyl]-3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 2-[acetyloxy(thiophen-2-yl)methyl]-3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonate Traditional Name: sodium 2-[acetoxy(2-thienyl)methyl]-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-4-keto-azetidine-1-sulfonate Formula: C16H16N5NaO8S3 MolecularWeight: 525.51171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(=NOC)C2=CSC(=N2)N)C3=CC=CS3.[Na+]

Isomeric SMILES

CC(=O)OC(C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N/OC)/C2=CSC(=N2)N)C3=CC=CS3.[Na+]

InChI

InChI=1S/C16H17N5O8S3.Na/c1-7(22)29-13(9-4-3-5-30-9)12-11(15(24)21(12)32(25,26)27)19-14(23)10(20-28-2)8-6-31-16(17)18-8;/h3-6,11-13H,1-2H3,(H2,17,18)(H,19,23)(H,25,26,27);/q;+1/p-1/b20-10+;