3-phenylpropyl 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]valeric acid 3-phenylpropyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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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)CCCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-20-12-17-24-25(19-20)34-28(30-24)22-13-15-23(16-14-22)29-26(31)10-5-11-27(32)33-18-6-9-21-7-3-2-4-8-21/h2-4,7-8,12-17,19H,5-6,9-11,18H2,1H3,(H,29,31)