5-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]amino]-5-oxo-pentanoate CAS Name: 5-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]amino]-5-oxopentanoate IUPAC Name: 5-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]amino]-5-keto-valerate Formula: C21H25N2O4S- MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCC(=O)[O-])C(=O)N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCC(=O)[O-])C(=O)N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H26N2O4S/c1-12-17(13-8-10-14(11-9-13)21(2,3)4)18(19(22)27)20(28-12)23-15(24)6-5-7-16(25)26/h8-11H,5-7H2,1-4H3,(H2,22,27)(H,23,24)(H,25,26)/p-1