ethyl 5-aminocarbonyl-4-methyl-2-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(tetralin-1-ylamino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(tetralin-1-ylamino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC2CCCC3=CC=CC=C23

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CNC2CCCC3=CC=CC=C23

InChI

InChI=1S/C21H25N3O4S/c1-3-28-21(27)17-12(2)18(19(22)26)29-20(17)24-16(25)11-23-15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15,23H,3,6,8,10-11H2,1-2H3,(H2,22,26)(H,24,25)