methyl 2-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-methyl-2-(4-nitrophenyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-methyl-2-(4-nitrophenyl)butanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-12(2)17(13-8-10-14(11-9-13)23(26)27)19(24)22-20-18(21(25)28-3)15-6-4-5-7-16(15)29-20/h8-12,17H,4-7H2,1-3H3,(H,22,24)