7-chloranyl-9-methoxy-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide

Systemtic Name: 7-chloranyl-9-methoxy-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: N-(5-benzylthiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-9-methoxy-N-[5-(phenylmethyl)-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide Traditional Name: N-(5-benzylthiazol-2-yl)-7-chloro-9-methoxy-1-benzoxepin-4-carboxamide Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H17ClN2O3S/c1-27-19-12-17(23)11-16-10-15(7-8-28-20(16)19)21(26)25-22-24-13-18(29-22)9-14-5-3-2-4-6-14/h2-8,10-13H,9H2,1H3,(H,24,25,26)