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

Systemtic Name: 5-ethanoyl-9,9-dimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9,9-dimethyl-6-(2-thienyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9,9-dimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9,9-dimethyl-6-thiophen-2-yl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9,9-dimethyl-6-(2-thienyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-13(24)23-16-8-5-4-7-14(16)22-15-11-21(2,3)12-17(25)19(15)20(23)18-9-6-10-26-18/h4-11,19-20,22H,12H2,1-3H3