ethyl 2-[(3-aminocarbonyl-7-oxidanylidene-chromen-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-aminocarbonyl-7-oxidanylidene-chromen-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-carbamoyl-7-oxo-chromen-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-carbamoyl-7-oxo-1-benzopyran-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-carbamoyl-7-oxochromen-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-7-keto-chromen-2-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C4C=CC(=O)C=C4O3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=C(C=C4C=CC(=O)C=C4O3)C(=O)N

InChI

InChI=1S/C21H20N2O5S/c1-2-27-21(26)17-13-5-3-4-6-16(13)29-20(17)23-19-14(18(22)25)9-11-7-8-12(24)10-15(11)28-19/h7-10,23H,2-6H2,1H3,(H2,22,25)