9-ethoxy-1-pent-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one

Systemtic Name: 9-ethoxy-1-pent-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Openeye Name: 9-ethoxy-1-pent-2-ynyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one CAS Name: 9-ethoxy-1-pent-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one IUPAC Name: 9-ethoxy-1-pent-2-ynyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Traditional Name: 9-ethoxy-1-pent-2-ynyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCN1CCNC(=O)C2=C1C3=C(S2)C=CC(=C3)OCC

Isomeric SMILES

CCC#CCN1CCNC(=O)C2=C1C3=C(S2)C=CC(=C3)OCC

InChI

InChI=1S/C18H20N2O2S/c1-3-5-6-10-20-11-9-19-18(21)17-16(20)14-12-13(22-4-2)7-8-15(14)23-17/h7-8,12H,3-4,9-11H2,1-2H3,(H,19,21)