methyl 2-[(2-chloranyl-6-methyl-phenyl)carbothioylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-[(2-chloranyl-6-methyl-phenyl)carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[(2-chloro-6-methyl-benzenecarbothioyl)amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[(2-chloro-6-methylphenyl)-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-6-methylbenzenecarbothioyl)amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[(2-chloro-6-methyl-thiobenzoyl)amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C(=S)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C(=S)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H17ClN2O4S/c1-11-4-3-5-14(19)16(11)17(26)20-15(18(22)25-2)10-12-6-8-13(9-7-12)21(23)24/h3-9,15H,10H2,1-2H3,(H,20,26)