1,3-benzothiazol-2-ylmethyl 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H19ClN2O3S MolecularWeight: 450.93726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H19ClN2O3S/c25-18-11-5-4-10-17(18)24(29)27-20(16-8-2-1-3-9-16)14-23(28)30-15-22-26-19-12-6-7-13-21(19)31-22/h1-13,20H,14-15H2,(H,27,29)