3-chloranyl-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-4-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-methyl-benzothiophene-2-carboxamide Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=C(C4=C(C=CC=C4S3)C)Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=C(C4=C(C=CC=C4S3)C)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-4-25-16-9-13-8-12(3)26-15(13)10-14(16)23-21(24)20-19(22)18-11(2)6-5-7-17(18)27-20/h5-7,9-10,12H,4,8H2,1-3H3,(H,23,24)/t12-/m0/s1