2-(4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoic acid Openeye Name: 2-[4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[4-oxo-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-(4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetic acid Traditional Name: 2-[4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C15H13NO3S2 MolecularWeight: 319.39862

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CSC=C3

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CSC=C3

InChI

InChI=1S/C15H13NO3S2/c17-14-7-13(10-5-6-20-9-10)21-12-4-2-1-3-11(12)16(14)8-15(18)19/h1-6,9,13H,7-8H2,(H,18,19)