[2-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate

Systemtic Name: [2-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic acid [2-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-28(2,3)18-13-14-20-22(16-29)26(35-24(20)15-18)31-25(32)17-34-27(33)21-11-7-8-12-23(21)30-19-9-5-4-6-10-19/h4-12,18,30H,13-15,17H2,1-3H3,(H,31,32)/t18-/m0/s1