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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC3=CSC(=N3)C4=CSC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OCC3=CSC(=N3)C4=CSC=C4)OC1

InChI

InChI=1S/C20H17NO4S2/c22-19(25-11-16-13-27-20(21-16)15-6-9-26-12-15)5-3-14-2-4-17-18(10-14)24-8-1-7-23-17/h2-6,9-10,12-13H,1,7-8,11H2/b5-3+