[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O4S/c1-25-15-9-6-14(7-10-15)8-11-20(24)26-13-18(23)21-12-19-22-16-4-2-3-5-17(16)27-19/h2-7,9-10H,8,11-13H2,1H3,(H,21,23)