dimethyl 5-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC2=CCCCC2)C(=O)OC

InChI

InChI=1S/C18H24N2O4S2/c1-11-13(16(21)23-2)15(26-14(11)17(22)24-3)20-18(25)19-10-9-12-7-5-4-6-8-12/h7H,4-6,8-10H2,1-3H3,(H2,19,20,25)