3-chloranyl-N-[2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]amino]ethyl]benzothiophene-2-carboxamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-12-8-9-16(27-3)15(10-12)13(2)24-18(25)11-23-21(26)20-19(22)14-6-4-5-7-17(14)28-20/h4-10,13H,11H2,1-3H3,(H,23,26)(H,24,25)/t13-/m0/s1