methyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)benzoate

Systemtic Name: methyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)benzoate Openeye Name: methyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzoate CAS Name: 4-[[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzoate Traditional Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzoic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC3(CC2)OCCO3

InChI

InChI=1S/C16H20N2O4S/c1-20-14(19)12-2-4-13(5-3-12)17-15(23)18-8-6-16(7-9-18)21-10-11-22-16/h2-5H,6-11H2,1H3,(H,17,23)