tert-butyl 2-[2,3-bis(chloranyl)-4-(2-nitrophenyl)sulfanyl-phenyl]prop-2-enoate

Systemtic Name: tert-butyl 2-[2,3-bis(chloranyl)-4-(2-nitrophenyl)sulfanyl-phenyl]prop-2-enoate Openeye Name: tert-butyl 2-[2,3-dichloro-4-(2-nitrophenyl)sulfanyl-phenyl]prop-2-enoate CAS Name: 2-[2,3-dichloro-4-[(2-nitrophenyl)thio]phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,3-dichloro-4-(2-nitrophenyl)sulfanylphenyl]prop-2-enoate Traditional Name: 2-[2,3-dichloro-4-[(2-nitrophenyl)thio]phenyl]acrylic acid tert-butyl ester Formula: C19H17Cl2NO4S MolecularWeight: 426.31358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C)C1=C(C(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(=C)C1=C(C(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C19H17Cl2NO4S/c1-11(18(23)26-19(2,3)4)12-9-10-15(17(21)16(12)20)27-14-8-6-5-7-13(14)22(24)25/h5-10H,1H2,2-4H3