1,2-benzothiazole; O1-ethyl O4-[1-(phenylmethyl)piperidin-4-yl] (E)-but-2-enedioate

Systemtic Name: 1,2-benzothiazole; O1-ethyl O4-[1-(phenylmethyl)piperidin-4-yl] (E)-but-2-enedioate Openeye Name: 1,2-benzothiazole; O4-(1-benzyl-4-piperidyl) O1-ethyl (E)-but-2-enedioate CAS Name: 1,2-benzothiazole; (E)-2-butenedioic acid O1-ethyl ester O4-[1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: 1,2-benzothiazole; 4-O-(1-benzylpiperidin-4-yl) 1-O-ethyl (E)-but-2-enedioate Traditional Name: 1,2-benzothiazole; (E)-but-2-enedioic acid O4-(1-benzyl-4-piperidyl) ester O1-ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC1CCN(CC1)CC2=CC=CC=C2.C1=CC=C2C(=C1)C=NS2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OC1CCN(CC1)CC2=CC=CC=C2.C1=CC=C2C(=C1)C=NS2

InChI

InChI=1S/C18H23NO4.C7H5NS/c1-2-22-17(20)8-9-18(21)23-16-10-12-19(13-11-16)14-15-6-4-3-5-7-15;1-2-4-7-6(3-1)5-8-9-7/h3-9,16H,2,10-14H2,1H3;1-5H/b9-8+;