ethyl 2-(thiophen-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(thiophen-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(2-thienylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(thiophen-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-thenylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S3 MolecularWeight: 394.57448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CS3

InChI

InChI=1S/C18H22N2O2S3/c1-2-22-17(21)15-13-8-4-3-5-9-14(13)25-16(15)20-18(23)19-11-12-7-6-10-24-12/h6-7,10H,2-5,8-9,11H2,1H3,(H2,19,20,23)