2-[3-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2S1)CC(=O)O)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C20H16ClN3O4S/c21-12-5-6-13-11(7-12)8-14(22-13)19(27)23-15-10-29-17-4-2-1-3-16(17)24(20(15)28)9-18(25)26/h1-8,15,22H,9-10H2,(H,23,27)(H,25,26)