methyl 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCSC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCSC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C19H19N3O3S2/c1-11-15-17(23)20-14(21-18(15)27-16(11)19(24)25-2)10-22-8-5-9-26-13-7-4-3-6-12(13)22/h3-4,6-7H,5,8-10H2,1-2H3,(H,20,21,23)