N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-oxo-isochromene-3-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxoisochromene-3-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-isochromene-3-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H20N2O4S/c1-2-11-7-8-14-16(9-11)28-20(17(14)18(22)24)23-19(25)15-10-12-5-3-4-6-13(12)21(26)27-15/h3-6,10-11H,2,7-9H2,1H3,(H2,22,24)(H,23,25)