(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CNC2=CC3=C(C=C2)OCCCO3)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/NC2=CC3=C(C=C2)OCCCO3)/C#N

InChI

InChI=1S/C16H15N3O2S/c1-11-10-22-16(19-11)12(8-17)9-18-13-3-4-14-15(7-13)21-6-2-5-20-14/h3-4,7,9-10,18H,2,5-6H2,1H3/b12-9+