[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H17ClO3S MolecularWeight: 384.87588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H17ClO3S/c1-13-7-9-15(10-8-13)21(24)14(2)25-19(23)12-11-18-20(22)16-5-3-4-6-17(16)26-18/h3-12,14H,1-2H3/b12-11+/t14-/m0/s1