2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide Openeye Name: 2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-nitrophenyl)propanamide CAS Name: 2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: 2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(3-nitrophenyl)propionamide Formula: C21H18N4O4S3 MolecularWeight: 486.58702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SC=C2C4=CC=CS4

InChI

InChI=1S/C21H18N4O4S3/c1-3-24-20(27)17-15(16-8-5-9-30-16)11-31-19(17)23-21(24)32-12(2)18(26)22-13-6-4-7-14(10-13)25(28)29/h4-12H,3H2,1-2H3,(H,22,26)