N-[(8-azaniumyl-1-chloranyl-4-oxidanyl-[1]benzothiolo[3,2-c]pyridin-3-yl)carbonyl]-N-methyl-carbamate

Systemtic Name: N-[(8-azaniumyl-1-chloranyl-4-oxidanyl-[1]benzothiolo[3,2-c]pyridin-3-yl)carbonyl]-N-methyl-carbamate Openeye Name: N-(8-azaniumyl-1-chloro-4-hydroxy-benzothiopheno[3,2-c]pyridine-3-carbonyl)-N-methyl-carbamate CAS Name: N-[(8-ammonio-1-chloro-4-hydroxy-[1]benzothiolo[3,2-c]pyridin-3-yl)-oxomethyl]-N-methylcarbamate IUPAC Name: N-(8-azaniumyl-1-chloro-4-hydroxy-[1]benzothiolo[3,2-c]pyridine-3-carbonyl)-N-methylcarbamate Traditional Name: N-(8-ammonio-1-chloro-4-hydroxy-benzothiopheno[3,2-c]pyridine-3-carbonyl)-N-methyl-carbamate Formula: C14H10ClN3O4S MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=C(C2=C(C3=C(S2)C=CC(=C3)[NH3+])C(=N1)Cl)O)C(=O)[O-]

Isomeric SMILES

CN(C(=O)C1=C(C2=C(C3=C(S2)C=CC(=C3)[NH3+])C(=N1)Cl)O)C(=O)[O-]

InChI

InChI=1S/C14H10ClN3O4S/c1-18(14(21)22)13(20)9-10(19)11-8(12(15)17-9)6-4-5(16)2-3-7(6)23-11/h2-4,19H,16H2,1H3,(H,21,22)