[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H15ClN2O5S/c1-12-10-13(23(26)27)6-7-15(12)22-18(24)11-28-19(25)9-8-17-20(21)14-4-2-3-5-16(14)29-17/h2-10H,11H2,1H3,(H,22,24)/b9-8+