methyl 4-[2-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[4-keto-4-(5-methyl-2-thienyl)butanoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4S2/c1-10-3-5-15(27-10)14(22)4-6-16(23)21-18-20-13(9-26-18)11-7-12(19-8-11)17(24)25-2/h3,5,7-9,19H,4,6H2,1-2H3,(H,20,21,23)