ethyl 3-[(4-ethoxycarbonylpiperidin-1-yl)carbothioylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(4-ethoxycarbonylpiperidin-1-yl)carbothioylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[(4-ethoxycarbonyl-1-piperidinyl)-sulfanylidenemethyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxycarbonylpiperidine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[(4-carbethoxypiperidine-1-carbothioyl)amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(NC3=C2C=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C21H27N3O5S/c1-4-28-19(25)13-8-10-24(11-9-13)21(30)23-17-15-12-14(27-3)6-7-16(15)22-18(17)20(26)29-5-2/h6-7,12-13,22H,4-5,8-11H2,1-3H3,(H,23,30)