4-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C18H19N2O5S- MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)[O-])C(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)[O-])C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H20N2O5S/c21-14(7-8-15(22)23)20-18-16(12-5-1-2-6-13(12)26-18)17(24)19-10-11-4-3-9-25-11/h3-4,9H,1-2,5-8,10H2,(H,19,24)(H,20,21)(H,22,23)/p-1