3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-1-methyl-indole-2-carboxylic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O3S/c1-22-14-8-4-2-6-11(14)12(17(22)18(24)25)10-16(23)21-19-20-13-7-3-5-9-15(13)26-19/h2-9H,10H2,1H3,(H,24,25)(H,20,21,23)