ethyl (E)-3-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)ethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(thieno[3,2-d]pyrimidin-4-ylthio)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C19H17N3O3S2/c1-2-25-17(24)8-5-13-3-6-14(7-4-13)22-16(23)11-27-19-18-15(9-10-26-18)20-12-21-19/h3-10,12H,2,11H2,1H3,(H,22,23)/b8-5+