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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)-5H-2,3-benzodiazepin-1-yl]thio]acetic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C3C2)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C3C2)SCC(=O)O

InChI

InChI=1S/C18H16N2O3S/c1-23-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)18(20-19-16)24-11-17(21)22/h2-9H,10-11H2,1H3,(H,21,22)