[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5S/c1-10(23)21-14(11-2-4-12(19)5-3-11)8-16(25)27-9-15(24)22-18-13(17(20)26)6-7-28-18/h2-7,14H,8-9H2,1H3,(H2,20,26)(H,21,23)(H,22,24)