4-azanylidene-9,10-diethoxy-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile

Systemtic Name: 4-azanylidene-9,10-diethoxy-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile Openeye Name: 9,10-diethoxy-4-imino-2-(2-thienyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile CAS Name: 9,10-diethoxy-4-imino-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile IUPAC Name: 9,10-diethoxy-4-imino-2-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile Traditional Name: 9,10-diethoxy-4-imino-2-(2-thienyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC=CS4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC=CS4)OCC

InChI

InChI=1S/C22H21N3O2S/c1-3-26-19-10-14-7-8-25-18(15(14)12-20(19)27-4-2)11-16(17(13-23)22(25)24)21-6-5-9-28-21/h5-6,9-12,24H,3-4,7-8H2,1-2H3