methyl 4-[(E)-3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[1,3-benzothiazol-2-yl(ethyl)amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O3S/c1-3-22(20-21-16-6-4-5-7-17(16)26-20)18(23)13-10-14-8-11-15(12-9-14)19(24)25-2/h4-13H,3H2,1-2H3/b13-10+