azanyl 2-[2-(4-carbamimidoylphenyl)carbonyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzothiazepin-2-yl]ethanoate

Systemtic Name: azanyl 2-[2-(4-carbamimidoylphenyl)carbonyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzothiazepin-2-yl]ethanoate Openeye Name: amino 2-[2-(4-carbamimidoylbenzoyl)-3-oxo-4-phenethyl-5H-1,4-benzothiazepin-2-yl]acetate CAS Name: 2-[2-[(4-carbamimidoylphenyl)-oxomethyl]-3-oxo-4-phenethyl-5H-1,4-benzothiazepin-2-yl]acetic acid amino ester IUPAC Name: amino 2-[2-(4-carbamimidoylbenzoyl)-3-oxo-4-phenethyl-5H-1,4-benzothiazepin-2-yl]acetate Traditional Name: 2-[2-(4-amidinobenzoyl)-3-keto-4-phenethyl-5H-1,4-benzothiazepin-2-yl]acetic acid amino ester Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC(C(=O)N1CCC3=CC=CC=C3)(CC(=O)ON)C(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1C2=CC=CC=C2SC(C(=O)N1CCC3=CC=CC=C3)(CC(=O)ON)C(=O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H26N4O4S/c28-25(29)20-12-10-19(11-13-20)24(33)27(16-23(32)35-30)26(34)31(15-14-18-6-2-1-3-7-18)17-21-8-4-5-9-22(21)36-27/h1-13H,14-17,30H2,(H3,28,29)