5-chloranyl-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]-1H-indole-2-carboxylic acid Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H14ClN3O4S/c1-27-10-3-5-14-15(7-10)28-19(22-14)23-16(24)8-12-11-6-9(20)2-4-13(11)21-17(12)18(25)26/h2-7,21H,8H2,1H3,(H,25,26)(H,22,23,24)