(2Z)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)-1-[4-(methylsulfanylmethyl)phenyl]ethanone

Systemtic Name: (2Z)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)-1-[4-(methylsulfanylmethyl)phenyl]ethanone Openeye Name: (2Z)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)-1-[4-(methylsulfanylmethyl)phenyl]ethanone CAS Name: (2Z)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)-1-[4-[(methylthio)methyl]phenyl]ethanone IUPAC Name: (2Z)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-7-ylidene)-1-[4-(methylsulfanylmethyl)phenyl]ethanone Traditional Name: (2Z)-2-(2,3,4,8,9,10-hexahydro-[1,4]dioxepin[2,3-g]isoquinolin-7-ylidene)-1-[4-[(methylthio)methyl]phenyl]ethanone Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)C=C2C3=CC4=C(C=C3CCN2)OCCCO4

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)/C=C\2/C3=CC4=C(C=C3CCN2)OCCCO4

InChI

InChI=1S/C22H23NO3S/c1-27-14-15-3-5-16(6-4-15)20(24)13-19-18-12-22-21(25-9-2-10-26-22)11-17(18)7-8-23-19/h3-6,11-13,23H,2,7-10,14H2,1H3/b19-13-