7,8-dimethyl-4-oxidanylidene-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide

Systemtic Name: 7,8-dimethyl-4-oxidanylidene-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide Openeye Name: 7,8-dimethyl-4-oxo-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]chromene-2-carboxamide CAS Name: 7,8-dimethyl-4-oxo-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzopyran-2-carboxamide IUPAC Name: 7,8-dimethyl-4-oxo-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide Traditional Name: 4-keto-7,8-dimethyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]chromene-2-carboxamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5)C

InChI

InChI=1S/C27H25N3O4S/c1-15-9-10-18-20(31)12-21(34-24(18)16(15)2)25(32)30-27-23(19-7-3-4-8-22(19)35-27)26(33)29-14-17-6-5-11-28-13-17/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H,29,33)(H,30,32)