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

Systemtic Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H17N3O4S/c1-23-15-6-4-3-5-12(15)13(18(23)19(25)26)10-17(24)22-20-21-14-8-7-11(27-2)9-16(14)28-20/h3-9H,10H2,1-2H3,(H,25,26)(H,21,22,24)