[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C(=CC2=CC=CS2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)/C(=C/C2=CC=CS2)/C3=CC=CS3

InChI

InChI=1S/C21H19NO3S2/c1-14-6-3-7-16(12-14)22-20(23)15(2)25-21(24)18(19-9-5-11-27-19)13-17-8-4-10-26-17/h3-13,15H,1-2H3,(H,22,23)/b18-13+/t15-/m0/s1