1-(1-benzothiophen-2-yl)-7,8-diethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

Systemtic Name: 1-(1-benzothiophen-2-yl)-7,8-diethoxy-3,5-dihydro-2,3-benzodiazepin-4-one Openeye Name: 1-(benzothiophen-2-yl)-7,8-diethoxy-3,5-dihydro-2,3-benzodiazepin-4-one CAS Name: 1-(1-benzothiophen-2-yl)-7,8-diethoxy-3,5-dihydro-2,3-benzodiazepin-4-one IUPAC Name: 1-(1-benzothiophen-2-yl)-7,8-diethoxy-3,5-dihydro-2,3-benzodiazepin-4-one Traditional Name: 1-(benzothiophen-2-yl)-7,8-diethoxy-3,5-dihydro-2,3-benzodiazepin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(=O)NN=C2C3=CC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(=O)NN=C2C3=CC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C21H20N2O3S/c1-3-25-16-9-14-11-20(24)22-23-21(15(14)12-17(16)26-4-2)19-10-13-7-5-6-8-18(13)27-19/h5-10,12H,3-4,11H2,1-2H3,(H,22,24)