6-methyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[3-(5-nitro-2-thienyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[[3-(5-nitro-2-thienyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S2/c1-9-2-5-11-12(8-9)26-17(15(11)16(18)22)19-13(21)6-3-10-4-7-14(25-10)20(23)24/h3-4,6-7,9H,2,5,8H2,1H3,(H2,18,22)(H,19,21)