[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-methyl-butanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-benzamido-3-methyl-butanoate CAS Name: 2-benzamido-3-methylbutanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-benzamido-3-methylbutanoate Traditional Name: 2-benzamido-3-methyl-butyric acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C(=O)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21N3O5S/c1-11(2)15(22-17(25)12-6-4-3-5-7-12)19(26)27-10-14(23)21-18-13(16(20)24)8-9-28-18/h3-9,11,15H,10H2,1-2H3,(H2,20,24)(H,21,23)(H,22,25)