[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2,2-dimethylpropanoylamino)benzoate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2,2-dimethylpropanoylamino)benzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-(2,2-dimethylpropanoylamino)benzoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]benzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-(2,2-dimethylpropanoylamino)benzoate Traditional Name: 3-(pivaloylamino)benzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C23H27N3O5S/c1-23(2,3)22(30)25-14-8-6-7-13(11-14)21(29)31-12-17(27)26-20-18(19(24)28)15-9-4-5-10-16(15)32-20/h6-8,11H,4-5,9-10,12H2,1-3H3,(H2,24,28)(H,25,30)(H,26,27)