4-methyl-N-[(S)-(3-methylthiophen-2-yl)-phosphonato-methyl]aniline

Systemtic Name: 4-methyl-N-[(S)-(3-methylthiophen-2-yl)-phosphonato-methyl]aniline Openeye Name: 4-methyl-N-[(S)-(3-methyl-2-thienyl)-phosphonato-methyl]aniline CAS Name: 4-methyl-N-[(S)-(3-methyl-2-thiophenyl)-phosphonatomethyl]aniline IUPAC Name: 4-methyl-N-[(S)-(3-methylthiophen-2-yl)-phosphonatomethyl]aniline Traditional Name: [(S)-(3-methyl-2-thienyl)-phosphonato-methyl]-(p-tolyl)amine Formula: C13H14NO3PS-2 MolecularWeight: 295.293921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=C(C=CS2)C)P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](C2=C(C=CS2)C)P(=O)([O-])[O-]

InChI

InChI=1S/C13H16NO3PS/c1-9-3-5-11(6-4-9)14-13(18(15,16)17)12-10(2)7-8-19-12/h3-8,13-14H,1-2H3,(H2,15,16,17)/p-2/t13-/m0/s1