ethyl (6S)-6-methyl-2-(3-methylsulfanylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-6-methyl-2-(3-methylsulfanylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-methyl-2-(3-methylsulfanylpropylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-methyl-2-(3-methylsulfanylpropylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[3-(methylthio)propylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H26N2O2S3 MolecularWeight: 386.59554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NCCCSC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=S)NCCCSC

InChI

InChI=1S/C17H26N2O2S3/c1-4-21-16(20)14-12-7-6-11(2)10-13(12)24-15(14)19-17(22)18-8-5-9-23-3/h11H,4-10H2,1-3H3,(H2,18,19,22)/t11-/m0/s1