2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propenoic acid 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)acrylic acid 2-[(3-chlorobenzothiophene-2-carbonyl)amino]ethyl ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16ClNO5S/c22-19-14-3-1-2-4-17(14)29-20(19)21(25)23-9-10-26-18(24)8-6-13-5-7-15-16(11-13)28-12-27-15/h1-8,11H,9-10,12H2,(H,23,25)