phenethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]butyric acid phenethyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-18-7-12-22-23(17-18)32-26(28-22)20-8-10-21(11-9-20)27-24(29)13-14-25(30)31-16-15-19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,27,29)