(phenylmethyl) 3-[(2-methyl-1,3-benzothiazol-5-yl)amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[(2-methyl-1,3-benzothiazol-5-yl)amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[(2-methyl-1,3-benzothiazol-5-yl)amino]-3-oxo-propanoate CAS Name: 3-[(2-methyl-1,3-benzothiazol-5-yl)amino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-methyl-1,3-benzothiazol-5-yl)amino]-3-oxopropanoate Traditional Name: 3-keto-3-[(2-methyl-1,3-benzothiazol-5-yl)amino]propionic acid benzyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3S/c1-12-19-15-9-14(7-8-16(15)24-12)20-17(21)10-18(22)23-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21)