methyl (3S)-3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O3S/c1-25-20(24)13-16(14-7-3-2-4-8-14)21-18(23)11-12-19-22-15-9-5-6-10-17(15)26-19/h2-12,16H,13H2,1H3,(H,21,23)/b12-11+/t16-/m0/s1