[2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Systemtic Name: [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Openeye Name: [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate CAS Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Traditional Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C30H33N3O3S MolecularWeight: 515.66632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C4CCCCCC4=NC5=CC=CC=C53

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C4CCCCCC4=NC5=CC=CC=C53

InChI

InChI=1S/C30H33N3O3S/c1-30(2,3)18-13-14-19-22(16-31)28(37-25(19)15-18)33-26(34)17-36-29(35)27-20-9-5-4-6-11-23(20)32-24-12-8-7-10-21(24)27/h7-8,10,12,18H,4-6,9,11,13-15,17H2,1-3H3,(H,33,34)