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

Systemtic Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3-azanylbenzoate Openeye Name: 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C24H29N3O3S/c1-5-19(30-23(29)14-7-6-8-16(26)11-14)21(28)27-22-18(13-25)17-10-9-15(24(2,3)4)12-20(17)31-22/h6-8,11,15,19H,5,9-10,12,26H2,1-4H3,(H,27,28)