2-(3-methylbutanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate

Systemtic Name: 2-(3-methylbutanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate Openeye Name: 2-(3-methylbutanoylamino)-4-tetralin-6-yl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-thiophenecarboxylate IUPAC Name: 2-(3-methylbutanoylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4-tetralin-6-yl-3-thenoate Formula: C20H22NO3S- MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC3=C(CCCC3)C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=C(C(=CS1)C2=CC3=C(CCCC3)C=C2)C(=O)[O-]

InChI

InChI=1S/C20H23NO3S/c1-12(2)9-17(22)21-19-18(20(23)24)16(11-25-19)15-8-7-13-5-3-4-6-14(13)10-15/h7-8,10-12H,3-6,9H2,1-2H3,(H,21,22)(H,23,24)/p-1