5-ethanoyl-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-6-(2-thienyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-6-(2-thienyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=O)CCC=C2NC3=CC=CC=C31)C4=CC=CS4

Isomeric SMILES

CC(=O)N1C(C2C(=O)CCC=C2NC3=CC=CC=C31)C4=CC=CS4

InChI

InChI=1S/C19H18N2O2S/c1-12(22)21-15-8-3-2-6-13(15)20-14-7-4-9-16(23)18(14)19(21)17-10-5-11-24-17/h2-3,5-8,10-11,18-20H,4,9H2,1H3