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

Systemtic Name: ethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C20H20N2O3S/c1-3-25-19(24)11-10-18(23)21-15-7-5-14(6-8-15)20-22-16-9-4-13(2)12-17(16)26-20/h4-9,12H,3,10-11H2,1-2H3,(H,21,23)