methyl (2R)-2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C=CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC(=O)/C=C/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H18N2O3S/c1-10(2)15(16(20)21-3)18-13(19)8-9-14-17-11-6-4-5-7-12(11)22-14/h4-10,15H,1-3H3,(H,18,19)/b9-8+/t15-/m1/s1