methyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxycarbonyl-3-thienyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2-methoxycarbonyl-3-thiophenyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-carbomethoxy-3-thienyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H18N2O4S3 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H18N2O4S3/c1-22-15(20)12-9-5-3-4-6-11(9)26-14(12)19-17(24)18-10-7-8-25-13(10)16(21)23-2/h7-8H,3-6H2,1-2H3,(H2,18,19,24)