(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 3-benzamido-3-phenyl-propanoate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 3-benzamido-3-phenyl-propanoate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C24H20N2O3S2 MolecularWeight: 448.5572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCN2C3=CC=CC=C3SC2=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCN2C3=CC=CC=C3SC2=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O3S2/c27-22(29-16-26-20-13-7-8-14-21(20)31-24(26)30)15-19(17-9-3-1-4-10-17)25-23(28)18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,25,28)