ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H15ClN2O3S2 MolecularWeight: 442.9384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O3S2/c1-2-27-20(26)18-16(12-8-4-3-5-9-12)23-21(29-18)24-19(25)17-15(22)13-10-6-7-11-14(13)28-17/h3-11H,2H2,1H3,(H,23,24,25)