methyl 2-[7-bromanyl-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: methyl 2-[7-bromanyl-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: methyl 2-[7-bromo-5-(2-chlorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[7-bromo-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-bromo-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[7-bromo-5-(2-chlorophenyl)-2-thioxo-3H-1,4-benzodiazepin-1-yl]acetic acid methyl ester Formula: C18H14BrClN2O2S MolecularWeight: 437.73796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=S)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)CN1C(=S)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H14BrClN2O2S/c1-24-17(23)10-22-15-7-6-11(19)8-13(15)18(21-9-16(22)25)12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3