[4-[(2-azanyl-5-thiophen-2-yl-phenyl)carbamoyl]phenyl]methyl-(1-methylcyclopropyl)phosphinic acid

Systemtic Name: [4-[(2-azanyl-5-thiophen-2-yl-phenyl)carbamoyl]phenyl]methyl-(1-methylcyclopropyl)phosphinic acid Openeye Name: [4-[[2-amino-5-(2-thienyl)phenyl]carbamoyl]phenyl]methyl-(1-methylcyclopropyl)phosphinic acid CAS Name: [4-[(2-amino-5-thiophen-2-ylanilino)-oxomethyl]phenyl]methyl-(1-methylcyclopropyl)phosphinic acid IUPAC Name: [4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl-(1-methylcyclopropyl)phosphinic acid Traditional Name: [4-[[2-amino-5-(2-thienyl)phenyl]carbamoyl]benzyl]-(1-methylcyclopropyl)phosphinic acid Formula: C22H23N2O3PS MolecularWeight: 426.468381

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)P(=O)(CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)O

Isomeric SMILES

CC1(CC1)P(=O)(CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)N)O

InChI

InChI=1S/C22H23N2O3PS/c1-22(10-11-22)28(26,27)14-15-4-6-16(7-5-15)21(25)24-19-13-17(8-9-18(19)23)20-3-2-12-29-20/h2-9,12-13H,10-11,14,23H2,1H3,(H,24,25)(H,26,27)