2-[7-chloranyl-5-(2-methoxyphenyl)-2-oxidanylidene-1,5-dihydro-4,1-benzothiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-5-(2-methoxyphenyl)-2-oxidanylidene-1,5-dihydro-4,1-benzothiazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(2-methoxyphenyl)-2-oxo-1,5-dihydro-4,1-benzothiazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(2-methoxyphenyl)-2-oxo-1,5-dihydro-4,1-benzothiazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(2-methoxyphenyl)-2-oxo-1,5-dihydro-4,1-benzothiazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-2-keto-5-(2-methoxyphenyl)-1,5-dihydro-4,1-benzothiazepin-3-yl]acetic acid Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(C=CC(=C3)Cl)NC(=O)C(S2)CC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2C3=C(C=CC(=C3)Cl)NC(=O)C(S2)CC(=O)O

InChI

InChI=1S/C18H16ClNO4S/c1-24-14-5-3-2-4-11(14)17-12-8-10(19)6-7-13(12)20-18(23)15(25-17)9-16(21)22/h2-8,15,17H,9H2,1H3,(H,20,23)(H,21,22)