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

Systemtic Name: diethyl (4S)-4-(1,3-benzothiazol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-(1,3-benzothiazol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(1,3-benzothiazol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-(1,3-benzothiazol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(1,3-benzothiazol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=NC=C(C1C2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-3-23-17(21)11-9-19-10-12(18(22)24-4-2)15(11)16-20-13-7-5-6-8-14(13)25-16/h5-11,15H,3-4H2,1-2H3/t11?,15-/m0/s1