methyl 5-chloranyl-2-(2-phenylethanethioylamino)-4-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 5-chloranyl-2-(2-phenylethanethioylamino)-4-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 5-chloro-4-isopropyl-2-[(2-phenylethanethioyl)amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[(2-phenyl-1-sulfanylideneethyl)amino]-4-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(2-phenylethanethioyl)amino]-4-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-chloro-4-isopropyl-2-[(2-phenylthioacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C17H18ClNO2S2 MolecularWeight: 367.91332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO2S2/c1-10(2)13-14(17(20)21-3)16(23-15(13)18)19-12(22)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,22)