methyl 3-chloranyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN2O4S2 MolecularWeight: 426.93746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC4(CC3)OCCO4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCC4(CC3)OCCO4)Cl

InChI

InChI=1S/C18H19ClN2O4S2/c1-23-16(22)15-14(19)12-3-2-11(10-13(12)27-15)20-17(26)21-6-4-18(5-7-21)24-8-9-25-18/h2-3,10H,4-9H2,1H3,(H,20,26)