7-methyl-5-thiophen-2-yl-4-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-methyl-5-thiophen-2-yl-4-(3,4,5-triethoxyphenyl)carbonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-methyl-5-(2-thienyl)-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-methyl-4-[oxo-(3,4,5-triethoxyphenyl)methyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-methyl-5-thiophen-2-yl-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-methyl-5-(2-thienyl)-4-(3,4,5-triethoxybenzoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C27H30N2O5S MolecularWeight: 494.6025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC(=O)NC3=C(C2C4=CC=CS4)C=C(C=C3)C

InChI

InChI=1S/C27H30N2O5S/c1-5-32-21-14-18(15-22(33-6-2)26(21)34-7-3)27(31)29-16-24(30)28-20-11-10-17(4)13-19(20)25(29)23-9-8-12-35-23/h8-15,25H,5-7,16H2,1-4H3,(H,28,30)