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

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoate IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-5-keto-valerate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c21-16(6-3-7-17(22)23)19-13-10-8-12(9-11-13)18-20-14-4-1-2-5-15(14)24-18/h1-2,4-5,8-11H,3,6-7H2,(H,19,21)(H,22,23)/p-1