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

Systemtic Name: methyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4(CC3)OCCO4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4(CC3)OCCO4

InChI

InChI=1S/C20H22N2O4S2/c1-24-18(23)15-13-16(14-5-3-2-4-6-14)28-17(15)21-19(27)22-9-7-20(8-10-22)25-11-12-26-20/h2-6,13H,7-12H2,1H3,(H,21,27)