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

Systemtic Name: methyl 1-[2-[[2-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[2-(1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[2-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[2-(1,3-benzothiazol-2-yl)anilino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H19N3O3S/c1-31-25(30)18-14-28(21-12-6-3-8-16(18)21)15-23(29)26-19-10-4-2-9-17(19)24-27-20-11-5-7-13-22(20)32-24/h2-14H,15H2,1H3,(H,26,29)