ethyl 3-[7-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[7-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-[2-(4-cyanophenyl)-2-oxo-ethyl]-5-oxo-2-thioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-[2-(4-cyanophenyl)-2-oxoethyl]-5-oxo-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[2-(4-cyanophenyl)-2-oxoethyl]-5-oxo-2-sulfanylidene-1,3-dihydro-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-[2-(4-cyanophenyl)-2-keto-ethyl]-5-keto-2-thioxo-1,3-dihydro-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=S)NC2=C(C1=O)C=C(C=C2)CC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CCN1CC(=S)NC2=C(C1=O)C=C(C=C2)CC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H21N3O4S/c1-2-30-22(28)9-10-26-14-21(31)25-19-8-5-16(11-18(19)23(26)29)12-20(27)17-6-3-15(13-24)4-7-17/h3-8,11H,2,9-10,12,14H2,1H3,(H,25,31)