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

Systemtic Name: diethyl 5-(azepan-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(azepane-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1-azepanyl(sulfanylidene)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(azepane-1-carbothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(azepane-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H26N2O4S2 MolecularWeight: 398.54004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCCCCC2

InChI

InChI=1S/C18H26N2O4S2/c1-4-23-16(21)13-12(3)14(17(22)24-5-2)26-15(13)19-18(25)20-10-8-6-7-9-11-20/h4-11H2,1-3H3,(H,19,25)