[2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-[(4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-[benzyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)COC(=O)C=CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)COC(=O)/C=C/C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-20-8-5-14-24-27(20)31-29(36-24)32(18-21-9-3-2-4-10-21)25(33)19-35-26(34)16-15-23-12-6-11-22-13-7-17-30-28(22)23/h2-17H,18-19H2,1H3/b16-15+