2-(carboxycarbonylamino)-7-[(phenylmethyl)carbamoyl]-3aH-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-7-[(phenylmethyl)carbamoyl]-3aH-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 7-(benzylcarbamoyl)-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-(oxaloamino)-7-[oxo-[(phenylmethyl)amino]methyl]-3aH-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 7-(benzylcarbamoyl)-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 7-(benzylcarbamoyl)-2-(oxaloamino)-3aH-thieno[2,3-c]pyran-3-carboxylic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C3C(C=CO2)C(=C(S3)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C3C(C=CO2)C(=C(S3)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N2O7S/c21-14(19-8-9-4-2-1-3-5-9)12-13-10(6-7-27-12)11(17(23)24)16(28-13)20-15(22)18(25)26/h1-7,10H,8H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)