dimethyl 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(sulfanylidene)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H22N2O6S2 MolecularWeight: 414.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3(CC2)OCCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3(CC2)OCCO3)C(=O)OC

InChI

InChI=1S/C17H22N2O6S2/c1-10-11(14(20)22-2)13(27-12(10)15(21)23-3)18-16(26)19-6-4-17(5-7-19)24-8-9-25-17/h4-9H2,1-3H3,(H,18,26)