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

Systemtic Name: methyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-11-7-8-12(20(26)27-2)9-14(11)23-16(24)10-22-19(25)18-17(21)13-5-3-4-6-15(13)28-18/h3-9H,10H2,1-2H3,(H,22,25)(H,23,24)