[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-14(21(25)22-13-15-7-9-16(26-2)10-8-15)27-20(24)12-11-19-23-17-5-3-4-6-18(17)28-19/h3-10,14H,11-13H2,1-2H3,(H,22,25)