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

Systemtic Name: 3-phenylpropyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c1-19-9-14-23-24(18-19)33-27(29-23)21-10-12-22(13-11-21)28-25(30)15-16-26(31)32-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,18H,5,8,15-17H2,1H3,(H,28,30)