[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H22N2O3S/c1-17-8-5-11-20(16-17)29-26(31)18(2)33-28(32)22-13-7-10-19-9-6-12-21(25(19)22)27-30-23-14-3-4-15-24(23)34-27/h3-16,18H,1-2H3,(H,29,31)