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

Systemtic Name: methyl 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]indole-3-carboxylic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C20H17N3O3S/c1-12-21-16-8-7-13(9-18(16)27-12)22-19(24)11-23-10-15(20(25)26-2)14-5-3-4-6-17(14)23/h3-10H,11H2,1-2H3,(H,22,24)