dimethyl 5-(azepan-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(azepan-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(azepane-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1-azepanyl(sulfanylidene)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(azepane-1-carbothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(azepane-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCCCCC2)C(=O)OC

InChI

InChI=1S/C16H22N2O4S2/c1-10-11(14(19)21-2)13(24-12(10)15(20)22-3)17-16(23)18-8-6-4-5-7-9-18/h4-9H2,1-3H3,(H,17,23)