methyl 2-[[2-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate

Systemtic Name: methyl 2-[[2-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate Openeye Name: methyl 2-[[2-[2-(ethylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]carbamoyl]benzoate CAS Name: 2-[[[2-[[2-(ethylamino)-2-oxoethyl]thio]-4-phenyl-5-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(ethylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]carbamoyl]benzoate Traditional Name: 2-[[2-[[2-(ethylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]carbamoyl]benzoic acid methyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NC(=C(S1)NC(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)CSC1=NC(=C(S1)NC(=O)C2=CC=CC=C2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S2/c1-3-23-17(26)13-30-22-24-18(14-9-5-4-6-10-14)20(31-22)25-19(27)15-11-7-8-12-16(15)21(28)29-2/h4-12H,3,13H2,1-2H3,(H,23,26)(H,25,27)