[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C

InChI

InChI=1S/C18H21N3O5S/c1-3-11-14(9(2)26-21-11)18(24)25-8-13(22)20-17-15(16(19)23)10-6-4-5-7-12(10)27-17/h3-8H2,1-2H3,(H2,19,23)(H,20,22)