[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3S/c1-16-7-12-21-17(13-16)14-22(31-21)24(29)30-15-23(28)25-18-8-10-20(11-9-18)27-26-19-5-3-2-4-6-19/h2-6,8-11,14,16H,7,12-13,15H2,1H3,(H,25,28)/t16-/m0/s1