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

Systemtic Name: methyl 2-[4-(3-oxidanylidene-1,2-benzothiazol-2-yl)phenyl]butanoate Openeye Name: methyl 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]butanoate CAS Name: 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 2-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]butanoate Traditional Name: 2-[4-(3-keto-1,2-benzothiazol-2-yl)phenyl]butyric acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C18H17NO3S/c1-3-14(18(21)22-2)12-8-10-13(11-9-12)19-17(20)15-6-4-5-7-16(15)23-19/h4-11,14H,3H2,1-2H3