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

Systemtic Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-7-methylsulfanyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate Openeye Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-7-methylsulfanyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-7-(methylthio)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-7-methylsulfanyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-7-(methylthio)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H30N2O4S/c1-16(27)30-23-21(17-6-8-19(29-4)9-7-17)15-18-14-20(31-5)10-11-22(18)26(24(23)28)13-12-25(2)3/h6-11,14,21,23H,12-13,15H2,1-5H3/t21-,23+/m0/s1