methyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[ethylamino(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(ethylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(ethylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C14H20N2O2S2 MolecularWeight: 312.4508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

Isomeric SMILES

CCNC(=S)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC

InChI

InChI=1S/C14H20N2O2S2/c1-4-15-14(19)16-12-11(13(17)18-3)9-6-5-8(2)7-10(9)20-12/h8H,4-7H2,1-3H3,(H2,15,16,19)