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

Systemtic Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-7-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate Openeye Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-7-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-7-(phenylthio)-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-7-phenylsulfanyl-4,5-dihydro-3H-1-benzazepin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-7-(phenylthio)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC2=C(C=CC(=C2)SC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC(=C2)SC3=CC=CC=C3)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H32N2O4S/c1-20(32)35-28-26(21-10-12-23(34-4)13-11-21)19-22-18-25(36-24-8-6-5-7-9-24)14-15-27(22)31(29(28)33)17-16-30(2)3/h5-15,18,26,28H,16-17,19H2,1-4H3/t26-,28+/m0/s1