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

Systemtic Name: ethyl 5-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 5-methyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(prop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5-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=C1CC(CC2)C)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC=C

InChI

InChI=1S/C16H22N2O2S2/c1-4-8-17-16(21)18-14-13(15(19)20-5-2)11-9-10(3)6-7-12(11)22-14/h4,10H,1,5-9H2,2-3H3,(H2,17,18,21)