tert-butyl (NE)-N-[azanyl-[4-(3-methylphenyl)sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[azanyl-[4-(3-methylphenyl)sulfonyl-5-methylsulfanyl-thiophen-2-yl]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[amino-[5-methylsulfanyl-4-(m-tolylsulfonyl)-2-thienyl]methylene]carbamate CAS Name: (NE)-N-[amino-[4-(3-methylphenyl)sulfonyl-5-(methylthio)-2-thiophenyl]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[amino-[4-(3-methylphenyl)sulfonyl-5-methylsulfanylthiophen-2-yl]methylidene]carbamate Traditional Name: (NE)-N-[amino-[5-(methylthio)-4-(m-tolylsulfonyl)-2-thienyl]methylene]carbamic acid tert-butyl ester Formula: C18H22N2O4S3 MolecularWeight: 426.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=C(SC(=C2)C(=NC(=O)OC(C)(C)C)N)SC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=C(SC(=C2)/C(=N\C(=O)OC(C)(C)C)/N)SC

InChI

InChI=1S/C18H22N2O4S3/c1-11-7-6-8-12(9-11)27(22,23)14-10-13(26-16(14)25-5)15(19)20-17(21)24-18(2,3)4/h6-10H,1-5H3,(H2,19,20,21)