(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: (7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: (7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-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 (7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl ester IUPAC Name: (7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-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 (5-keto-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)COC(=O)C=CC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)COC(=O)/C=C/C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H17N3O5S/c1-12-9-17(23)22-19(20-12)28-16(21-22)11-27-18(24)6-4-13-3-5-14-15(10-13)26-8-2-7-25-14/h3-6,9-10H,2,7-8,11H2,1H3/b6-4+