ethyl 2-[1-[(2-methoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[(2-methoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[(2-methoxycarbonylphenyl)carbamothioyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(2-methoxycarbonylanilino)-sulfanylidenemethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-methoxycarbonylphenyl)carbamothioyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-[(2-carbomethoxyphenyl)thiocarbamoyl]-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H23N3O4S2/c1-3-27-19(25)16-12-29-17(21-16)13-8-10-23(11-9-13)20(28)22-15-7-5-4-6-14(15)18(24)26-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)