ethyl 3-[[4-[5-[(3-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 3-[[4-[5-[(3-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 3-[[4-[5-[(3-methoxyphenyl)methylcarbamoyl]-2-thienyl]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-[5-[[(3-methoxyphenyl)methylamino]-oxomethyl]-2-thiophenyl]-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[5-[(3-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-[5-(m-anisylcarbamoyl)-2-thienyl]pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=C(S3)C(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC=C(S3)C(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H24N4O4S/c1-3-34-25(32)18-7-5-8-19(15-18)29-26-27-13-12-21(30-26)22-10-11-23(35-22)24(31)28-16-17-6-4-9-20(14-17)33-2/h4-15H,3,16H2,1-2H3,(H,28,31)(H,27,29,30)