calcium; 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide; dihydrate

Systemtic Name: calcium; 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide; dihydrate Openeye Name: calcium; 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide; dihydrate CAS Name: calcium; 5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolecarboxamide; dihydrate IUPAC Name: calcium; 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide; dihydrate Traditional Name: calcium; 5-chloro-2-hydroxy-3-(2-thenoyl)indole-1-carboxamide; dihydrate Formula: C14H13CaClN2O5S MolecularWeight: 396.85942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O.O.O.[Ca]

Isomeric SMILES

C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O.O.O.[Ca]

InChI

InChI=1S/C14H9ClN2O3S.Ca.2H2O/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10;;;/h1-6,19H,(H2,16,20);;2*1H2