ethyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-oxidanylidene-2-(3-phenylpropylamino)-1-thiophen-2-yl-1,4-thiazepane-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-oxidanylidene-2-(3-phenylpropylamino)-1-thiophen-2-yl-1,4-thiazepane-1-carboxylate Openeye Name: ethyl 4-(2-tert-butoxy-2-oxo-ethyl)-5-oxo-2-(3-phenylpropylamino)-1-(2-thienyl)-1,4-thiazepane-1-carboxylate CAS Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-2-(3-phenylpropylamino)-1-thiophen-2-yl-1,4-thiazepane-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-2-(3-phenylpropylamino)-1-thiophen-2-yl-1,4-thiazepane-1-carboxylate Traditional Name: 4-(2-tert-butoxy-2-keto-ethyl)-5-keto-2-(3-phenylpropylamino)-1-(2-thienyl)-1,4-thiazepane-1-carboxylic acid ethyl ester Formula: C27H38N2O5S2 MolecularWeight: 534.73102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)S1(CCC(=O)N(CC1NCCCC2=CC=CC=C2)CC(=O)OC(C)(C)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)S1(CCC(=O)N(CC1NCCCC2=CC=CC=C2)CC(=O)OC(C)(C)C)C3=CC=CS3

InChI

InChI=1S/C27H38N2O5S2/c1-5-33-26(32)36(25-14-10-17-35-25)18-15-23(30)29(20-24(31)34-27(2,3)4)19-22(36)28-16-9-13-21-11-7-6-8-12-21/h6-8,10-12,14,17,22,28H,5,9,13,15-16,18-20H2,1-4H3