N-[2-[2-(4-methoxyphenyl)ethenyl]-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[2-[2-(4-methoxyphenyl)ethenyl]-6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methylsulfanyl-ethanamide Openeye Name: N-[2-[2-(4-methoxyphenyl)vinyl]-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methylsulfanyl-acetamide CAS Name: N-[2-[2-(4-methoxyphenyl)ethenyl]-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylthio)acetamide IUPAC Name: N-[2-[2-(4-methoxyphenyl)ethenyl]-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-methylsulfanylacetamide Traditional Name: N-[6,11-diketo-2-[2-(4-methoxyphenyl)vinyl]-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(methylthio)acetamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=CC3=C(C=C2)NC(=O)C4CC(CN4C3=O)NC(=O)CSC

Isomeric SMILES

COC1=CC=C(C=C1)C=CC2=CC3=C(C=C2)NC(=O)C4CC(CN4C3=O)NC(=O)CSC

InChI

InChI=1S/C24H25N3O4S/c1-31-18-8-5-15(6-9-18)3-4-16-7-10-20-19(11-16)24(30)27-13-17(25-22(28)14-32-2)12-21(27)23(29)26-20/h3-11,17,21H,12-14H2,1-2H3,(H,25,28)(H,26,29)