methyl 2-[4-(4-propan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-propan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-isopropylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-4-(4-propan-2-ylphenoxy)butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-propan-2-ylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-isopropylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C23H29NO4S/c1-15(2)16-10-12-17(13-11-16)28-14-6-9-20(25)24-22-21(23(26)27-3)18-7-4-5-8-19(18)29-22/h10-13,15H,4-9,14H2,1-3H3,(H,24,25)