methyl N-[4,5-dimethyl-2-[4-(phenylmethylsulfanyl)butanoylamino]thiophen-3-yl]carbonylcarbamate

Systemtic Name: methyl N-[4,5-dimethyl-2-[4-(phenylmethylsulfanyl)butanoylamino]thiophen-3-yl]carbonylcarbamate Openeye Name: methyl N-[2-(4-benzylsulfanylbutanoylamino)-4,5-dimethyl-thiophene-3-carbonyl]carbamate CAS Name: N-[[4,5-dimethyl-2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenyl]-oxomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-benzylsulfanylbutanoylamino)-4,5-dimethylthiophene-3-carbonyl]carbamate Traditional Name: N-[2-[4-(benzylthio)butanoylamino]-4,5-dimethyl-thiophene-3-carbonyl]carbamic acid methyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)CCCSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)CCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C20H24N2O4S2/c1-13-14(2)28-19(17(13)18(24)22-20(25)26-3)21-16(23)10-7-11-27-12-15-8-5-4-6-9-15/h4-6,8-9H,7,10-12H2,1-3H3,(H,21,23)(H,22,24,25)