methyl 2-[(4-ethoxycarbonylpiperidin-1-yl)carbothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-ethoxycarbonylpiperidin-1-yl)carbothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-ethoxycarbonyl-1-piperidinyl)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperidine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S2/c1-3-25-16(23)11-6-8-21(9-7-11)18(26)20-17-19-13-5-4-12(15(22)24-2)10-14(13)27-17/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20,26)