diethyl (3R,4S)-4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (3R,4S)-4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (3R,4S)-4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (3R,4S)-4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3R,4S)-4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (3R,4S)-4-(1,3-benzothiazol-2-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](C(=C(N=C1C)C)C(=O)OCC)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O4S/c1-5-25-19(23)15-11(3)21-12(4)16(20(24)26-6-2)17(15)18-22-13-9-7-8-10-14(13)27-18/h7-10,15,17H,5-6H2,1-4H3/t15-,17-/m0/s1