methyl 4-[2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[2-(4-chlorophenyl)sulfanylpropanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[2-[(4-chlorophenyl)thio]propanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)OC)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)OC)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S2/c1-10(27-13-5-3-12(19)4-6-13)16(23)22-18-21-15(9-26-18)11-7-14(20-8-11)17(24)25-2/h3-10,20H,1-2H3,(H,21,22,23)