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

Systemtic Name: methyl 1-[2-[1,3-benzothiazol-2-yl(prop-2-enyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[allyl(1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[1,3-benzothiazol-2-yl(prop-2-enyl)amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1,3-benzothiazol-2-yl(prop-2-enyl)amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[allyl(1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N(CC=C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N(CC=C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O3S/c1-3-12-25(22-23-17-9-5-7-11-19(17)29-22)20(26)14-24-13-16(21(27)28-2)15-8-4-6-10-18(15)24/h3-11,13H,1,12,14H2,2H3