[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] (Z)-4-azidobut-2-enoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] (Z)-4-azidobut-2-enoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] (Z)-4-azidobut-2-enoate CAS Name: (Z)-4-azido-2-butenoic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] (Z)-4-azidobut-2-enoate Traditional Name: (Z)-4-azidobut-2-enoic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)/C=C\CN=[N+]=[N-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H27N5O4S/c1-28(2)15-16-29-19-7-4-5-8-20(19)34-23(17-10-12-18(32-3)13-11-17)22(24(29)31)33-21(30)9-6-14-26-27-25/h4-13,22-23H,14-16H2,1-3H3/b9-6-