[(E)-(1-methyl-8-thiophen-3-yl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)methyl]phosphonic acid

Systemtic Name: [(E)-(1-methyl-8-thiophen-3-yl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)methyl]phosphonic acid Openeye Name: [(E)-[1-methyl-8-(3-thienyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]methyl]phosphonic acid CAS Name: [(E)-[1-methyl-8-(3-thiophenyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]methyl]phosphonic acid IUPAC Name: [(E)-(1-methyl-8-thiophen-3-yl-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene)methyl]phosphonic acid Traditional Name: [(E)-[1-methyl-8-(3-thienyl)-3,4-dihydro-2H-1,4-benzodiazepin-5-ylidene]methyl]phosphonic acid Formula: C15H17N2O3PS MolecularWeight: 336.345841

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(=CP(=O)(O)O)C2=C1C=C(C=C2)C3=CSC=C3

Isomeric SMILES

CN1CCN/C(=C/P(=O)(O)O)/C2=C1C=C(C=C2)C3=CSC=C3

InChI

InChI=1S/C15H17N2O3PS/c1-17-6-5-16-14(9-21(18,19)20)13-3-2-11(8-15(13)17)12-4-7-22-10-12/h2-4,7-10,16H,5-6H2,1H3,(H2,18,19,20)/b14-9+