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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-25-19(24)17-14-16(13-15-5-3-2-4-6-15)29-18(17)22-20(28)23-9-7-21(8-10-23)26-11-12-27-21/h2-6,14H,7-13H2,1H3,(H,22,28)