[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)COC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H17N3O4S/c25-18(23-17-7-3-5-14-4-1-2-6-15(14)17)12-28-19(26)8-10-24-13-22-20-16(21(24)27)9-11-29-20/h1-7,9,11,13H,8,10,12H2,(H,23,25)