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ethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylate

ethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name:ethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylate
Openeye Name:ethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylate
CAS Name:2-[(carbamimidoylthio)methyl]-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
IUPAC Name:ethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylate
Traditional Name:2-[(amidinothio)methyl]-4-(3-chlorophenyl)-6-(diethoxymethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester
Formula: C21H28ClN3O4S
MolecularWeight: 453.98272
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC(C(=C(N1)CSC(=N)N)C(=O)OCC)C2=CC(=CC=C2)Cl)OCC


Isomeric SMILES

CCOC(C1=CC(C(=C(N1)CSC(=N)N)C(=O)OCC)C2=CC(=CC=C2)Cl)OCC


InChI

InChI=1S/C21H28ClN3O4S/c1-4-27-19(26)18-15(13-8-7-9-14(22)10-13)11-16(20(28-5-2)29-6-3)25-17(18)12-30-21(23)24/h7-11,15,20,25H,4-6,12H2,1-3H3,(H3,23,24)


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