1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3,7-dicyano-4-methoxy-indole-2-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3,7-dicyano-4-methoxy-indole-2-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3,7-dicyano-4-methoxy-indole-2-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-3,7-dicyano-4-methoxy-2-indolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3,7-dicyano-4-methoxyindole-2-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3,7-dicyano-4-methoxy-indole-2-carboxylic acid Formula: C20H11ClN4O4S MolecularWeight: 438.84374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(N(C2=C(C=C1)C#N)CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)C#N

Isomeric SMILES

COC1=C2C(=C(N(C2=C(C=C1)C#N)CC3=NOC(=C3)C4=CC=C(S4)Cl)C(=O)O)C#N

InChI

InChI=1S/C20H11ClN4O4S/c1-28-13-3-2-10(7-22)18-17(13)12(8-23)19(20(26)27)25(18)9-11-6-14(29-24-11)15-4-5-16(21)30-15/h2-6H,9H2,1H3,(H,26,27)