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

Systemtic Name: ethyl 4-[3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H29N3O4S/c1-2-28-21(27)24-12-9-16(10-13-24)22-19(25)11-14-29-18-8-7-15-5-3-4-6-17(15)23-20(18)26/h3-6,16,18H,2,7-14H2,1H3,(H,22,25)(H,23,26)