[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] furan-2-carboxylate

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] furan-2-carboxylate Openeye Name: 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC=CO3

InChI

InChI=1S/C18H18N2O4S/c1-2-13(24-18(22)14-7-5-9-23-14)16(21)20-17-12(10-19)11-6-3-4-8-15(11)25-17/h5,7,9,13H,2-4,6,8H2,1H3,(H,20,21)