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

Systemtic Name: ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)thiophene-3-carboxylate CAS Name: 2-[[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)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(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4(CC3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCC4(CC3)OCCO4

InChI

InChI=1S/C22H26N2O4S2/c1-2-26-20(25)18-15-17(14-16-6-4-3-5-7-16)30-19(18)23-21(29)24-10-8-22(9-11-24)27-12-13-28-22/h3-7,15H,2,8-14H2,1H3,(H,23,29)