ethyl 2-(2-azanyl-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)butanoate

Systemtic Name: ethyl 2-(2-azanyl-2-naphthalen-2-yl-5-oxidanylidene-1,4-thiazepan-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)butanoate Openeye Name: ethyl 2-[2-amino-2-(2-naphthyl)-5-oxo-1,4-thiazepan-3-yl]-4-indan-2-yl-butanoate CAS Name: 2-[2-amino-2-(2-naphthalenyl)-5-oxo-1,4-thiazepan-3-yl]-4-(2,3-dihydro-1H-inden-2-yl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-2-naphthalen-2-yl-5-oxo-1,4-thiazepan-3-yl)-4-(2,3-dihydro-1H-inden-2-yl)butanoate Traditional Name: 2-[2-amino-5-keto-2-(2-naphthyl)-1,4-thiazepan-3-yl]-4-indan-2-yl-butyric acid ethyl ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CC2=CC=CC=C2C1)C3C(SCCC(=O)N3)(C4=CC5=CC=CC=C5C=C4)N

Isomeric SMILES

CCOC(=O)C(CCC1CC2=CC=CC=C2C1)C3C(SCCC(=O)N3)(C4=CC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C30H34N2O3S/c1-2-35-29(34)26(14-11-20-17-22-8-5-6-9-23(22)18-20)28-30(31,36-16-15-27(33)32-28)25-13-12-21-7-3-4-10-24(21)19-25/h3-10,12-13,19-20,26,28H,2,11,14-18,31H2,1H3,(H,32,33)