ethyl 2-(2-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-2-yl)-4-thiophen-2-yl-butanoate

Systemtic Name: ethyl 2-(2-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-2-yl)-4-thiophen-2-yl-butanoate Openeye Name: ethyl 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-(2-thienyl)butanoate CAS Name: 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-thiophen-2-ylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-5-oxo-3-phenyl-1,4-thiazepan-2-yl)-4-thiophen-2-ylbutanoate Traditional Name: 2-(2-amino-5-keto-3-phenyl-1,4-thiazepan-2-yl)-4-(2-thienyl)butyric acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CS1)C2(C(NC(=O)CCS2)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CS1)C2(C(NC(=O)CCS2)C3=CC=CC=C3)N

InChI

InChI=1S/C21H26N2O3S2/c1-2-26-20(25)17(11-10-16-9-6-13-27-16)21(22)19(15-7-4-3-5-8-15)23-18(24)12-14-28-21/h3-9,13,17,19H,2,10-12,14,22H2,1H3,(H,23,24)