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

Systemtic Name: ethyl (4S)-2-(cyclopropylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (4S)-2-(cyclopropylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (4S)-2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-(cyclopropylcarbamothioylamino)-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (4S)-2-(cyclopropylthiocarbamoylamino)-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@H](CCC2)C)NC(=S)NC3CC3

InChI

InChI=1S/C16H22N2O2S2/c1-3-20-15(19)13-12-9(2)5-4-6-11(12)22-14(13)18-16(21)17-10-7-8-10/h9-10H,3-8H2,1-2H3,(H2,17,18,21)/t9-/m0/s1