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

Systemtic Name: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4(CC3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCC4(CC3)OCCO4

InChI

InChI=1S/C22H26N2O4S2/c1-3-26-20(25)18-17(16-7-5-4-6-8-16)15(2)30-19(18)23-21(29)24-11-9-22(10-12-24)27-13-14-28-22/h4-8H,3,9-14H2,1-2H3,(H,23,29)