3-(2-chloranyl-4-nitro-phenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 3-(2-chloranyl-4-nitro-phenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-(2-chloro-4-nitro-phenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 3-(2-chloro-4-nitrophenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 3-(2-chloro-4-nitrophenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 3-(2-chloro-4-nitro-phenoxy)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H26ClN3O5S MolecularWeight: 528.01974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H26ClN3O5S/c1-28(2)14-15-29-21-6-4-5-7-23(21)36-25(17-8-11-19(34-3)12-9-17)24(26(29)31)35-22-13-10-18(30(32)33)16-20(22)27/h4-13,16,24-25H,14-15H2,1-3H3