methyl 5-chloranyl-2-[2-(3-phenoxyphenyl)ethanethioylamino]-4-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 5-chloranyl-2-[2-(3-phenoxyphenyl)ethanethioylamino]-4-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 5-chloro-4-isopropyl-2-[[2-(3-phenoxyphenyl)ethanethioyl]amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-(3-phenoxyphenyl)-1-sulfanylideneethyl]amino]-4-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-[[2-(3-phenoxyphenyl)ethanethioyl]amino]-4-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-chloro-4-isopropyl-2-[[2-(3-phenoxyphenyl)thioacetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO3S2 MolecularWeight: 460.00868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(SC(=C1C(=O)OC)NC(=S)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)C1=C(SC(=C1C(=O)OC)NC(=S)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClNO3S2/c1-14(2)19-20(23(26)27-3)22(30-21(19)24)25-18(29)13-15-8-7-11-17(12-15)28-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,25,29)