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

Systemtic Name: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-2-25-19(24)16-14-17(15-6-4-3-5-7-15)29-18(16)22-20(28)23-10-8-21(9-11-23)26-12-13-27-21/h3-7,14H,2,8-13H2,1H3,(H,22,28)