[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic 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-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-11(19(27)23-20-15(18(21)26)8-9-30-20)29-17(25)10-16(22-12(2)24)13-4-6-14(28-3)7-5-13/h4-9,11,16H,10H2,1-3H3,(H2,21,26)(H,22,24)(H,23,27)