methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]thiazole-5-carboxylate CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]thiazole-5-carboxylic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=NC=C(S2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=NC=C(S2)C(=O)OC)C

InChI

InChI=1S/C16H18N2O3S2/c1-10-4-5-12(8-11(10)2)22-7-6-14(19)18-16-17-9-13(23-16)15(20)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,19)