1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: 1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(3-thieno[3,2-c]pyridinyl)-1,4-dihydropyridine-3-carboxylic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-thieno[3,2-c]pyridin-3-yl-1,4-dihydropyridine-3-carboxylic acid 1-phenylethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CSC3=C2C=NC=C3)C(=O)OC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CSC3=C2C=NC=C3)C(=O)OC(C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c1-13-20(23(27)30-15(3)16-7-5-4-6-8-16)21(22(26(28)29)14(2)25-13)18-12-31-19-9-10-24-11-17(18)19/h4-12,15,21,25H,1-3H3