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

Systemtic Name: ethyl 3-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(2-methylallylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylprop-2-enylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-(2-methylallylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=S)NCC(=C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=S)NCC(=C)C

InChI

InChI=1S/C16H22N2O2S2/c1-4-20-15(19)14-13(18-16(21)17-9-10(2)3)11-7-5-6-8-12(11)22-14/h2,4-9H2,1,3H3,(H2,17,18,21)