3-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]propanoate Openeye Name: 3-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]thio]propanoate IUPAC Name: 3-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]thio]propionate Formula: C19H17N2O3S- MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C3C2)SCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C3C2)SCCC(=O)[O-]

InChI

InChI=1S/C19H18N2O3S/c1-24-15-8-6-13(7-9-15)17-12-14-4-2-3-5-16(14)19(21-20-17)25-11-10-18(22)23/h2-9H,10-12H2,1H3,(H,22,23)/p-1