ethyl 2-(pyrrolidin-1-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(pyrrolidin-1-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(pyrrolidine-1-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyrrolidine-1-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(pyrrolidine-1-carbothioylamino)-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=C1CCCC2)NC(=S)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCCC3

InChI

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