ethyl 5-[(3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidin-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3,6-dimethyl-4-oxidanylidene-furo[2,3-d]pyrimidin-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(3,6-dimethyl-4-oxo-furo[2,3-d]pyrimidine-5-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(3,6-dimethyl-4-oxo-5-furo[2,3-d]pyrimidinyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-keto-3,6-dimethyl-furo[2,3-d]pyrimidine-5-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(OC4=C3C(=O)N(C=N4)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(OC4=C3C(=O)N(C=N4)C)C

InChI

InChI=1S/C20H17N3O5S/c1-4-27-20(26)14-8-11-7-12(5-6-13(11)29-14)22-17(24)15-10(2)28-18-16(15)19(25)23(3)9-21-18/h5-9H,4H2,1-3H3,(H,22,24)