propan-2-yl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-3-(4-methoxyphenyl)propanoate CAS Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C(C)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C(C)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27N3O4S/c1-14(2)30-21(27)13-19(16-9-11-17(29-4)12-10-16)25-22(28)15(3)24-23-26-18-7-5-6-8-20(18)31-23/h5-12,14-15,19H,13H2,1-4H3,(H,24,26)(H,25,28)