3-methyl-8-oxidanylidene-7-[(2-sulfinyl-2-thiophen-2-yl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(2-sulfinyl-2-thiophen-2-yl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[[2-sulfinyl-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[(1-oxo-2-sulfinyl-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(2-sulfinyl-2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[[2-sulfinyl-2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H12N2O5S3 MolecularWeight: 384.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(=S=O)C3=CC=CS3)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C(=S=O)C3=CC=CS3)SC1)C(=O)O

InChI

InChI=1S/C14H12N2O5S3/c1-6-5-23-13-8(12(18)16(13)9(6)14(19)20)15-11(17)10(24-21)7-3-2-4-22-7/h2-4,8,13H,5H2,1H3,(H,15,17)(H,19,20)