ethyl 4-[2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H27N3O4S/c1-2-27-20(26)23-11-9-15(10-12-23)21-18(24)13-28-17-8-7-14-5-3-4-6-16(14)22-19(17)25/h3-6,15,17H,2,7-13H2,1H3,(H,21,24)(H,22,25)