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

Systemtic Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(2-furylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H20N2O3S2/c1-21-16(20)14-12-7-3-2-4-8-13(12)24-15(14)19-17(23)18-10-11-6-5-9-22-11/h5-6,9H,2-4,7-8,10H2,1H3,(H2,18,19,23)