[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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