methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C16H18ClNO3S MolecularWeight: 339.83702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C16H18ClNO3S/c1-9(2)8-11(16(20)21-3)18-15(19)14-13(17)10-6-4-5-7-12(10)22-14/h4-7,9,11H,8H2,1-3H3,(H,18,19)