[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C=CC2=CC=CS2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C17H17NO3S/c1-12-5-3-6-14(11-12)18-17(20)13(2)21-16(19)9-8-15-7-4-10-22-15/h3-11,13H,1-2H3,(H,18,20)/b9-8+/t13-/m0/s1