[(3R,4S)-7-tert-butylsulfanyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate

Systemtic Name: [(3R,4S)-7-tert-butylsulfanyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate Openeye Name: [(3R,4S)-7-tert-butylsulfanyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-7-(tert-butylthio)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [(3R,4S)-7-tert-butylsulfanyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-7-(tert-butylthio)-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC2=C(C=CC(=C2)SC(C)(C)C)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC(=C2)SC(C)(C)C)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H36N2O4S/c1-18(30)33-25-23(19-8-10-21(32-7)11-9-19)17-20-16-22(34-27(2,3)4)12-13-24(20)29(26(25)31)15-14-28(5)6/h8-13,16,23,25H,14-15,17H2,1-7H3/t23-,25+/m0/s1