(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate

Systemtic Name: (7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate Openeye Name: (7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid (7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid (4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC=C4OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)COC(=O)C4=C(C=CC=C4OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-11-7-8-12-15(9-11)29-20-17(12)19(24)22-16(23-20)10-28-21(25)18-13(26-2)5-4-6-14(18)27-3/h4-6,11H,7-10H2,1-3H3,(H,22,23,24)