[1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC4=C(S3)CCCC4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=CC4=C(S3)CCCC4)C5=CC=CC=C51

InChI

InChI=1S/C26H26N2O3S/c1-3-28-21-10-6-5-9-19(21)20-15-18(12-13-22(20)28)27-25(29)16(2)31-26(30)24-14-17-8-4-7-11-23(17)32-24/h5-6,9-10,12-16H,3-4,7-8,11H2,1-2H3,(H,27,29)