[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-14(2)20(26-21(28)15-8-4-3-5-9-15)23(29)30-13-19(27)25-22-17(12-24)16-10-6-7-11-18(16)31-22/h3-5,8-9,14,20H,6-7,10-11,13H2,1-2H3,(H,25,27)(H,26,28)