methyl 4-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]amino]methyl]benzoic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H21NO4S/c1-12-10-16(13(2)25-12)17(21)8-9-18(22)20-11-14-4-6-15(7-5-14)19(23)24-3/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)