ethyl 3-naphthalen-1-yl-2-[[5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]propanoate

Systemtic Name: ethyl 3-naphthalen-1-yl-2-[[5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]propanoate Openeye Name: ethyl 2-[(3-benzyl-5-oxo-1,4-thiazepan-6-yl)amino]-3-(1-naphthyl)propanoate CAS Name: 3-(1-naphthalenyl)-2-[[5-oxo-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-5-oxo-1,4-thiazepan-6-yl)amino]-3-naphthalen-1-ylpropanoate Traditional Name: 2-[(3-benzyl-5-keto-1,4-thiazepan-6-yl)amino]-3-(1-naphthyl)propionic acid ethyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)NC3CSCC(NC3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)NC3CSCC(NC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c1-2-32-27(31)24(16-21-13-8-12-20-11-6-7-14-23(20)21)29-25-18-33-17-22(28-26(25)30)15-19-9-4-3-5-10-19/h3-14,22,24-25,29H,2,15-18H2,1H3,(H,28,30)