methyl 4-[[2-[2-(3-methylbutanoylamino)ethanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[2-(3-methylbutanoylamino)ethanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[[2-(3-methylbutanoylamino)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[2-[(3-methyl-1-oxobutyl)amino]-1-oxoethyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(3-methylbutanoylamino)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[[2-(isovalerylamino)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCC(=O)NC1=CC=CC=C1NC2=C(CSC2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NCC(=O)NC1=CC=CC=C1NC2=C(CSC2)C(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-12(2)8-17(23)20-9-18(24)22-15-7-5-4-6-14(15)21-16-11-27-10-13(16)19(25)26-3/h4-7,12,21H,8-11H2,1-3H3,(H,20,23)(H,22,24)