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

Systemtic Name: 1-ethyl-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 1-ethyl-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 1-ethyl-3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]indole-2-carboxylic acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C21H19N3O4S/c1-3-24-16-7-5-4-6-13(16)14(19(24)20(26)27)11-18(25)23-21-22-15-9-8-12(28-2)10-17(15)29-21/h4-10H,3,11H2,1-2H3,(H,26,27)(H,22,23,25)