1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-methoxyphenyl)propan-1-one

Systemtic Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-methoxyphenyl)propan-1-one Openeye Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-methoxyphenyl)propan-1-one CAS Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-methoxyphenyl)-1-propanone IUPAC Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-methoxyphenyl)propan-1-one Traditional Name: 1-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-methoxyphenyl)propan-1-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H26N2O4S/c1-31-22-9-5-3-7-18(22)11-12-25(30)29-13-14-33-26-20(17-29)15-19(16-23(26)32-2)27-28-21-8-4-6-10-24(21)34-27/h3-10,15-16H,11-14,17H2,1-2H3