2-[4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[4-keto-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C20H21NO6S/c1-25-14-8-12(9-15(26-2)20(14)27-3)17-10-18(22)21(11-19(23)24)13-6-4-5-7-16(13)28-17/h4-9,17H,10-11H2,1-3H3,(H,23,24)