6-ethyl-2-[2-(4-nitrophenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-ethyl-2-[2-(4-nitrophenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-ethyl-2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-2-11-5-8-14-15(9-11)27-19(17(14)18(20)24)21-16(23)10-12-3-6-13(7-4-12)22(25)26/h3-4,6-7,11H,2,5,8-10H2,1H3,(H2,20,24)(H,21,23)